2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide

C15H25N3O2S — CID 83107893

IUPAC2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(N(C)C)CCCC2)c(N)c1
InChIInChI=1S/C15H25N3O2S/c1-12-6-7-14(13(16)10-12)21(19,20)17-11-15(18(2)3)8-4-5-9-15/h6-7,10,17H,4-5,8-9,11,16H2,1-3H3
InChIKeyMOAKUKWPVBIACR-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.73
Rot. Bonds5

About 2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide

2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide (PubChem CID 83107893) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide
PubChem CID83107893
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(N(C)C)CCCC2)c(N)c1
InChIInChI=1S/C15H25N3O2S/c1-12-6-7-14(13(16)10-12)21(19,20)17-11-15(18(2)3)8-4-5-9-15/h6-7,10,17H,4-5,8-9,11,16H2,1-3H3
InChIKeyMOAKUKWPVBIACR-UHFFFAOYSA-N
XLogP1.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 105413667
2-amino-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83107309
2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108494
5-amino-2-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108622
2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61111569
5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-2-methylbenzenesulfonamide
CID 105413622
4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83113474
3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
CID 83108257
2-amino-4-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzenesulfonamide
CID 105413934
5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide
CID 106076875
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide
CID 105413651
6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-dimethylbenzenesulfonamide
CID 105413590

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide (CID 83107893) is 2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2(N(C)C)CCCC2)c(N)c1.
What is the InChIKey of 2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is MOAKUKWPVBIACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12-6-7-14(13(16)10-12)21(19,20)17-11-15(18(2)3)8-4-5-9-15/h6-7,10,17H,4-5,8-9,11,16H2,1-3H3.
What are the key properties of 2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide?
2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 83107893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).